2-(Trichloromethyl)oxirane
TL;DR: 2-(Trichloromethyl)oxirane (CAS 3083-23-6) is a chemical compound with molecular formula C3H3Cl3O and molecular weight 159.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(trichloromethyl)oxirane
Also Known As: 2-(Trichloromethyl)oxirane, (Trichloromethyl)oxirane, Trichloropropene oxide, TCPO, Trichloroepoxypropane
| Molecular Formula | C3H3Cl3O |
|---|---|
| Molecular Weight | 159.92 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 12.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 159.92494 |
| Heavy Atoms | 7 |
| Complexity | 76.0 |
| Boiling Point | 148.9 °C at 764 mmHg |
| Density | 1.495 at 20.0 °C |
| Solubility | less than 0.1 mg/mL at 65.3 °F (NTP, 1992) |
| Flash Point | 66.7 °C |
| Vapor Pressure | 11.6 mmHg at 25.0 °C ; 28.5 mmHg at 42.2 °C; 65.5 mmHg at 65.0 °C |
Chemical Identifiers
| CAS Number | 3083-23-6 |
|---|---|
| SMILES | C1C(O1)C(Cl)(Cl)Cl |
| InChIKey | VFEXYZINKMLLAK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Trichloromethyl)oxirane (CAS 3083-23-6), with molecular formula C3H3Cl3O and molecular weight 159.92 g/mol. IUPAC: 2-(trichloromethyl)oxirane.
Chemical Property Profile of 2-(Trichloromethyl)oxirane
Property Insights of 2-(Trichloromethyl)oxirane
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Trichloromethyl)oxirane. With a topological polar surface area (TPSA) of 12.5 Ų, 2-(Trichloromethyl)oxirane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Trichloromethyl)oxirane has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(Trichloromethyl)oxirane?
The CAS number of 2-(Trichloromethyl)oxirane is 3083-23-6.
What is the molecular formula of 2-(Trichloromethyl)oxirane?
The molecular formula of 2-(Trichloromethyl)oxirane is C3H3Cl3O.
What is the molecular weight of 2-(Trichloromethyl)oxirane?
The molecular weight of 2-(Trichloromethyl)oxirane is 159.92 g/mol.
Where can I buy 2-(Trichloromethyl)oxirane?
You can request a quote for 2-(Trichloromethyl)oxirane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Trichloromethyl)oxirane?
Yes, KEHONG BIO provides custom synthesis services for 2-(Trichloromethyl)oxirane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.